3-[3-(hydroxymethyl)pentan-3-ylamino]butanoic acid

C10H21NO3 — CID 62517979

IUPAC3-[3-(hydroxymethyl)pentan-3-ylamino]butanoic acid
SMILESCCC(CC)(CO)NC(C)CC(=O)O
InChIInChI=1S/C10H21NO3/c1-4-10(5-2,7-12)11-8(3)6-9(13)14/h8,11-12H,4-7H2,1-3H3,(H,13,14)
InChIKeyMVUWMKRWECNRML-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.99
Rot. Bonds7

About 3-[3-(hydroxymethyl)pentan-3-ylamino]butanoic acid

3-[3-(hydroxymethyl)pentan-3-ylamino]butanoic acid (PubChem CID 62517979) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)pentan-3-ylamino]butanoic acid.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)pentan-3-ylamino]butanoic acid
PubChem CID62517979
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name3-[3-(hydroxymethyl)pentan-3-ylamino]butanoic acid
SMILESCCC(CC)(CO)NC(C)CC(=O)O
InChIInChI=1S/C10H21NO3/c1-4-10(5-2,7-12)11-8(3)6-9(13)14/h8,11-12H,4-7H2,1-3H3,(H,13,14)
InChIKeyMVUWMKRWECNRML-UHFFFAOYSA-N
XLogP0.99
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)pentan-3-ylamino]butanoic acid?
The IUPAC name of 3-[3-(hydroxymethyl)pentan-3-ylamino]butanoic acid (CID 62517979) is 3-[3-(hydroxymethyl)pentan-3-ylamino]butanoic acid.
What is the SMILES notation for 3-[3-(hydroxymethyl)pentan-3-ylamino]butanoic acid?
The canonical SMILES for 3-[3-(hydroxymethyl)pentan-3-ylamino]butanoic acid is CCC(CC)(CO)NC(C)CC(=O)O.
What is the InChIKey of 3-[3-(hydroxymethyl)pentan-3-ylamino]butanoic acid?
The InChIKey is MVUWMKRWECNRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-4-10(5-2,7-12)11-8(3)6-9(13)14/h8,11-12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 3-[3-(hydroxymethyl)pentan-3-ylamino]butanoic acid?
3-[3-(hydroxymethyl)pentan-3-ylamino]butanoic acid has a molecular weight of 203.28 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)pentan-3-ylamino]butanoic acid is sourced from PubChem (CID 62517979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).